SCHEMBL22176064

SCHEMBL22176064

CCC(NC)c1cc2nc(Cl)cc(Cl)n2n1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.37
▸ KCNN3 Q9UGI6 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL22164199 0.99 PDE10A (0.36) PDE10AKCNN3
Hydrochloric Acid SCHEMBL22164200 0.99 PDE10A (0.36) PDE10AKCNN3
SCHEMBL22176343 0.78 — —
Hydrochloric Acid SCHEMBL22164227 0.77 — —
Hydrochloric Acid SCHEMBL22164226 0.77 — —
SCHEMBL22175837 0.77 — —
SCHEMBL1934522 0.71 PDE10A (0.48) PDE10A
SCHEMBL22686367 0.70 PDE10A (0.44) PDE10AKCNN3
SCHEMBL22176046 0.70 KDM4E (0.42) PDE10AKCNN3
SCHEMBL22175838 0.66 PDE10A (0.40) PDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 — — WO disclosed
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